HRID1541033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID527

Propanal

C3H6O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID4175931

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCC(O)C1CC(C(=O)OC)N(C(=O)OC(C)(C)C)C1=O

HCID178458552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84b448a2f9be4043b2f1fb52ef23b85d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH:27]([C:32](=[O:33])[O:34][CH3:35])[CH2:28][CH2:29][C:30]1=[O:31].[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:36]([CH2:37][CH3:38])=[O:39].[Cl-:40].[NH4+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH:27]([C:32](=[O:33])[O:34][CH3:35])[CH2:28][CH:29]([CH:36]([CH2:37][CH3:38])[OH:39])[C:30]1=[O:31]